#------------------------------------------------------------------------------
#$Date: 2019-11-17 08:21:55 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228834 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/93/1549384.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1549384
loop_
_publ_author_name
'Han, Haixiang'
'Wei, Zheng'
'Barry, Matthew C.'
'Carozza, Jesse C.'
'Alkan, Melisa'
'Rogachev, Andrey Yu'
'Filatov, Alexander S.'
'Abakumov, Artem M.'
'Dikarev, Evgeny V.'
_publ_section_title
;
 A three body problem: a genuine heterotrimetallic molecule
 vs. a mixture of two parent heterobimetallic molecules.
;
_journal_issue                   21
_journal_name_full               'Chemical science'
_journal_page_first              4736
_journal_page_last               4745
_journal_paper_doi               10.1039/c8sc00917a
_journal_volume                  9
_journal_year                    2018
_chemical_formula_moiety         'C48 H78 Co Li2 Ni O18'
_chemical_formula_sum            'C48 H78 Co Li2 Ni O18'
_chemical_formula_weight         1074.62
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2018-02-13 deposited with the CCDC.
2018-05-08 downloaded from the CCDC.
;
_cell_angle_alpha                103.535(2)
_cell_angle_beta                 107.265(2)
_cell_angle_gamma                110.653(2)
_cell_formula_units_Z            1
_cell_length_a                   11.4322(11)
_cell_length_b                   12.2773(11)
_cell_length_c                   12.5149(12)
_cell_measurement_reflns_used    9868
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      14.55
_cell_measurement_theta_min      2.42
_cell_volume                     1452.5(2)
_computing_cell_refinement       'SAINT V.8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'APEX2 v.2014.9-0 (Bruker AXS Inc., 2014)'
_computing_data_reduction        'SAINT V.8.38A (Bruker AXS Inc., 2017)'
_computing_molecular_graphics    'Xshell v.6.3.1 (Bruker AXS Inc., 2016)'
_computing_publication_material  'APEX2 v.2014.9-0 (Bruker AXS Inc., 2014)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Pilatus1M(CdTe) pixel array detector'
_diffrn_detector_area_resol_mean 30
_diffrn_detector_type            'CMOS pixel array detector'
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.910
_diffrn_measurement_device_type  'three-circle diffractometer'
_diffrn_measurement_method       'phi rotation'
_diffrn_radiation_collimation    '0.2 mm sinlge-pinhole'
_diffrn_radiation_monochromator  'Si(111) & Si(311)'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.41328
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_av_unetI/netI     0.0323
_diffrn_reflns_Laue_measured_fraction_full 0.958
_diffrn_reflns_Laue_measured_fraction_max 0.910
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            62588
_diffrn_reflns_point_group_measured_fraction_full 0.958
_diffrn_reflns_point_group_measured_fraction_max 0.910
_diffrn_reflns_theta_full        14.357
_diffrn_reflns_theta_max         20.366
_diffrn_reflns_theta_min         1.218
_diffrn_source                   synchrotron
_diffrn_source_type
'Insertion Device, Station 15 ID-B, APS, Argonne Nat'l Lab'
_exptl_absorpt_coefficient_mu    0.162
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was 
used for absorption correction. 
Krause, L., Herbst-Irmer, R., 
Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.229
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       plate
_exptl_crystal_F_000             571
_exptl_crystal_size_max          0.017
_exptl_crystal_size_mid          0.012
_exptl_crystal_size_min          0.010
_exptl_transmission_factor_max   1
_exptl_transmission_factor_min   0.9242
_refine_diff_density_max         0.712
_refine_diff_density_min         -0.770
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       0.251(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     329
_refine_ls_number_reflns         13227
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0391
_refine_ls_R_factor_gt           0.0337
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0442P)²+0.2793P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0881
_refine_ls_wR_factor_ref         0.0905
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11504
_reflns_number_total             13227
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8sc00917a3.cif
_cod_data_source_block           LiCoNi-synchrotron
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 1549384--1549387.cif.
;
_cod_database_code               1549384
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.997
_shelx_estimated_absorpt_t_max   0.998
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Li1 Li 0.14753(17) 0.93608(15) -0.06794(14) 0.0177(3) Uani 1 1 d . . . . .
Ni1 Ni -0.09381(2) 0.85521(2) -0.02013(2) 0.01223(3) Uani 0.5 1 d . . P A 1
Co1 Co -0.09381(2) 0.85521(2) -0.02013(2) 0.01223(3) Uani 0.5 1 d . . P A 2
O7 O -0.10858(7) 0.64615(7) 0.20118(6) 0.01981(12) Uani 1 1 d . . . . .
O1 O -0.12680(7) 0.77052(6) 0.09693(6) 0.01747(11) Uani 1 1 d . . . . .
O2 O 0.06800(6) 0.81895(6) -0.00540(6) 0.01561(10) Uani 1 1 d . . . . .
O4 O -0.01843(6) 0.95925(6) -0.12045(5) 0.01417(10) Uani 1 1 d . . . . .
O3 O 0.16520(7) 0.89499(7) -0.21231(6) 0.02074(12) Uani 1 1 d . . . . .
O8 O 0.10302(8) 0.86744(7) -0.40909(6) 0.02298(13) Uani 1 1 d . . . . .
O6 O 0.25433(6) 1.10695(6) 0.03589(5) 0.01517(10) Uani 1 1 d . . . . .
O5 O 0.22168(6) 1.30783(6) 0.16822(6) 0.01715(11) Uani 1 1 d . . . . .
O9 O 0.42475(7) 1.46986(6) 0.30710(6) 0.01851(11) Uani 1 1 d . . . . .
C1 C 0.18540(12) 0.69411(11) -0.00651(11) 0.02737(19) Uani 1 1 d . . . . .
H1A H 0.159574 0.672399 -0.093464 0.041 Uiso 1 1 calc R U . . .
H1B H 0.184096 0.621308 0.013578 0.041 Uiso 1 1 calc R U . . .
H1C H 0.278044 0.764737 0.038550 0.041 Uiso 1 1 calc R U . . .
C2 C 0.08447(9) 0.73091(8) 0.02707(8) 0.01730(13) Uani 1 1 d . . . . .
C3 C 0.01992(9) 0.67230(9) 0.08959(8) 0.01954(14) Uani 1 1 d . . . . .
H3 H 0.040073 0.608816 0.109102 0.023 Uiso 1 1 calc R U . . .
C4 C -0.07586(8) 0.70220(8) 0.12660(7) 0.01636(13) Uani 1 1 d . . . . .
C5 C -0.21647(9) 0.65239(9) 0.24066(8) 0.02065(15) Uani 1 1 d . . . . .
C6 C -0.18393(11) 0.78775(10) 0.30818(9) 0.02663(18) Uani 1 1 d . . . . .
H6A H -0.087999 0.833590 0.368044 0.040 Uiso 1 1 calc R U . . .
H6B H -0.244794 0.787620 0.349264 0.040 Uiso 1 1 calc R U . . .
H6C H -0.198143 0.828872 0.250537 0.040 Uiso 1 1 calc R U . . .
C7 C -0.35459(10) 0.58248(11) 0.13109(9) 0.02642(18) Uani 1 1 d . . . . .
H7A H -0.355401 0.628293 0.076625 0.040 Uiso 1 1 calc R U . . .
H7B H -0.428306 0.576338 0.157704 0.040 Uiso 1 1 calc R U . . .
H7C H -0.368967 0.497808 0.088407 0.040 Uiso 1 1 calc R U . . .
C8 C -0.20983(11) 0.58320(11) 0.32715(9) 0.02705(19) Uani 1 1 d . . . . .
H8A H -0.221838 0.499239 0.285331 0.041 Uiso 1 1 calc R U . . .
H8B H -0.283085 0.575358 0.354752 0.041 Uiso 1 1 calc R U . . .
H8C H -0.120296 0.630558 0.396938 0.041 Uiso 1 1 calc R U . . .
C9 C -0.21592(9) 0.94709(9) -0.27142(8) 0.01983(15) Uani 1 1 d . . . . .
H9A H -0.280593 0.889323 -0.249875 0.030 Uiso 1 1 calc R U . . .
H9B H -0.256681 0.926278 -0.358774 0.030 Uiso 1 1 calc R U . . .
H9C H -0.195920 1.033672 -0.228267 0.030 Uiso 1 1 calc R U . . .
C10 C -0.08478(8) 0.93482(8) -0.23666(7) 0.01499(12) Uani 1 1 d . . . . .
C11 C -0.04105(9) 0.90178(8) -0.32437(7) 0.01826(14) Uani 1 1 d . . . . .
H11 H -0.097983 0.885950 -0.404675 0.022 Uiso 1 1 calc R U . . .
C12 C 0.08360(9) 0.88873(8) -0.30621(7) 0.01852(14) Uani 1 1 d . . . . .
C13 C 0.22462(10) 0.85200(10) -0.41154(8) 0.02440(17) Uani 1 1 d . . . . .
C14 C 0.20430(13) 0.83118(14) -0.54207(10) 0.0334(2) Uani 1 1 d . . . . .
H14A H 0.283316 0.824632 -0.552973 0.050 Uiso 1 1 calc R U . . .
H14B H 0.196270 0.902203 -0.560528 0.050 Uiso 1 1 calc R U . . .
H14C H 0.120239 0.753306 -0.596592 0.050 Uiso 1 1 calc R U . . .
C15 C 0.35680(12) 0.97227(12) -0.32549(11) 0.0328(2) Uani 1 1 d . . . . .
H15A H 0.368470 0.985713 -0.241895 0.049 Uiso 1 1 calc R U . . .
H15B H 0.351057 1.043996 -0.343973 0.049 Uiso 1 1 calc R U . . .
H15C H 0.435554 0.964156 -0.335476 0.049 Uiso 1 1 calc R U . . .
C16 C 0.22175(13) 0.73641(12) -0.38482(10) 0.0305(2) Uani 1 1 d . . . . .
H16A H 0.230068 0.749431 -0.302071 0.046 Uiso 1 1 calc R U . . .
H16B H 0.298578 0.722901 -0.393341 0.046 Uiso 1 1 calc R U . . .
H16C H 0.134745 0.662557 -0.441870 0.046 Uiso 1 1 calc R U . . .
C17 C 0.48042(10) 1.14277(10) 0.06587(10) 0.02668(19) Uani 1 1 d . . . . .
H17A H 0.471283 1.068097 0.085135 0.040 Uiso 1 1 calc R U . . .
H17B H 0.574986 1.209666 0.113425 0.040 Uiso 1 1 calc R U . . .
H17C H 0.458579 1.121668 -0.020479 0.040 Uiso 1 1 calc R U . . .
C18 C 0.38268(8) 1.18717(8) 0.09589(7) 0.01590(13) Uani 1 1 d . . . . .
C19 C 0.43395(8) 1.30454(8) 0.18293(8) 0.01801(14) Uani 1 1 d . . . . .
H19 H 0.530934 1.353895 0.223764 0.022 Uiso 1 1 calc R U . . .
C20 C 0.34950(8) 1.35638(7) 0.21536(7) 0.01524(12) Uani 1 1 d . . . . .
C21 C 0.35943(10) 1.54611(8) 0.34649(8) 0.02027(15) Uani 1 1 d . . . . .
C22 C 0.26001(14) 1.47936(12) 0.39454(12) 0.0363(3) Uani 1 1 d . . . . .
H22A H 0.181098 1.404790 0.327968 0.054 Uiso 1 1 calc R U . . .
H22B H 0.228073 1.536435 0.430818 0.054 Uiso 1 1 calc R U . . .
H22C H 0.306679 1.453764 0.455860 0.054 Uiso 1 1 calc R U . . .
C23 C 0.29274(13) 1.57974(11) 0.24311(10) 0.0321(2) Uani 1 1 d . . . . .
H23A H 0.359106 1.614443 0.210519 0.048 Uiso 1 1 calc R U . . .
H23B H 0.263729 1.642410 0.272935 0.048 Uiso 1 1 calc R U . . .
H23C H 0.212418 1.504049 0.179239 0.048 Uiso 1 1 calc R U . . .
C24 C 0.48259(11) 1.66337(10) 0.44883(10) 0.0294(2) Uani 1 1 d . . . . .
H24A H 0.526014 1.639820 0.513662 0.044 Uiso 1 1 calc R U . . .
H24B H 0.451517 1.723530 0.480503 0.044 Uiso 1 1 calc R U . . .
H24C H 0.549275 1.702026 0.417997 0.044 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C -0.0020 0.0005 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O -0.0040 0.0018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.1862 0.4106 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.1525 0.3559 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O3 Li1 O2 124.74(9) . .
O3 Li1 O6 115.01(9) . .
O2 Li1 O6 118.61(9) . .
O3 Li1 O4 100.05(8) . .
O2 Li1 O4 91.23(7) . .
O6 Li1 O4 91.34(7) . .
O3 Li1 Ni1 122.63(8) . 2_575
O2 Li1 Ni1 105.06(7) . 2_575
O6 Li1 Ni1 43.90(4) . 2_575
O4 Li1 Ni1 48.29(4) . 2_575
O6 Ni1 O2 179.21(2) 2_575 .
O6 Ni1 O1 91.72(3) 2_575 .
O2 Ni1 O1 89.04(3) . .
O6 Ni1 O5 88.94(3) 2_575 2_575
O2 Ni1 O5 91.22(3) . 2_575
O1 Ni1 O5 93.06(3) . 2_575
O6 Ni1 O4 96.58(2) 2_575 .
O2 Ni1 O4 82.64(2) . .
O1 Ni1 O4 169.00(2) . .
O5 Ni1 O4 94.30(3) 2_575 .
O6 Ni1 O4 82.49(2) 2_575 2_575
O2 Ni1 O4 97.28(2) . 2_575
O1 Ni1 O4 92.81(3) . 2_575
O5 Ni1 O4 169.75(2) 2_575 2_575
O4 Ni1 O4 81.17(2) . 2_575
O6 Ni1 Li1 40.51(4) 2_575 2_575
O2 Ni1 Li1 139.14(4) . 2_575
O1 Ni1 Li1 99.03(4) . 2_575
O5 Ni1 Li1 127.83(4) 2_575 2_575
O4 Ni1 Li1 82.84(4) . 2_575
O4 Ni1 Li1 42.71(4) 2_575 2_575
O6 Co1 O2 179.21(2) 2_575 .
O6 Co1 O1 91.72(3) 2_575 .
O2 Co1 O1 89.04(3) . .
O6 Co1 O5 88.94(3) 2_575 2_575
O2 Co1 O5 91.22(3) . 2_575
O1 Co1 O5 93.06(3) . 2_575
O6 Co1 O4 96.58(2) 2_575 .
O2 Co1 O4 82.64(2) . .
O1 Co1 O4 169.00(2) . .
O5 Co1 O4 94.30(3) 2_575 .
O6 Co1 O4 82.49(2) 2_575 2_575
O2 Co1 O4 97.28(2) . 2_575
O1 Co1 O4 92.81(3) . 2_575
O5 Co1 O4 169.75(2) 2_575 2_575
O4 Co1 O4 81.17(2) . 2_575
O6 Co1 Li1 40.51(4) 2_575 2_575
O2 Co1 Li1 139.14(4) . 2_575
O1 Co1 Li1 99.03(4) . 2_575
O5 Co1 Li1 127.83(4) 2_575 2_575
O4 Co1 Li1 82.84(4) . 2_575
O4 Co1 Li1 42.71(4) 2_575 2_575
C4 O7 C5 121.54(7) . .
C4 O1 Ni1 125.46(6) . .
C4 O1 Co1 125.46(6) . .
C2 O2 Li1 139.57(7) . .
C2 O2 Ni1 124.95(5) . .
Li1 O2 Ni1 95.12(6) . .
C2 O2 Co1 124.95(5) . .
Li1 O2 Co1 95.12(6) . .
C10 O4 Li1 119.20(7) . .
C10 O4 Ni1 125.78(5) . .
Li1 O4 Ni1 89.14(5) . .
C10 O4 Co1 125.78(5) . .
Li1 O4 Co1 89.14(5) . .
C10 O4 Ni1 124.50(5) . 2_575
Li1 O4 Ni1 89.01(5) . 2_575
Ni1 O4 Ni1 98.83(2) . 2_575
C12 O3 Li1 122.18(8) . .
C12 O8 C13 120.58(7) . .
C18 O6 Li1 138.28(7) . .
C18 O6 Ni1 126.00(5) . 2_575
Li1 O6 Ni1 95.60(6) . 2_575
C20 O5 Ni1 125.88(5) . 2_575
C20 O9 C21 121.11(7) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O2 C2 C3 125.42(8) . .
O2 C2 C1 115.02(7) . .
C3 C2 C1 119.55(8) . .
C2 C3 C4 123.45(8) . .
C2 C3 H3 118.3 . .
C4 C3 H3 118.3 . .
O1 C4 O7 120.95(8) . .
O1 C4 C3 127.09(8) . .
O7 C4 C3 111.96(7) . .
O7 C5 C7 108.86(7) . .
O7 C5 C8 102.00(8) . .
C7 C5 C8 111.27(8) . .
O7 C5 C6 112.03(7) . .
C7 C5 C6 112.33(9) . .
C8 C5 C6 109.91(8) . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C5 C7 H7A 109.5 . .
C5 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C5 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C5 C8 H8A 109.5 . .
C5 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C5 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C10 C9 H9A 109.5 . .
C10 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C10 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
O4 C10 C11 124.74(8) . .
O4 C10 C9 116.23(7) . .
C11 C10 C9 119.02(7) . .
C10 C11 C12 126.18(8) . .
C10 C11 H11 116.9 . .
C12 C11 H11 116.9 . .
O3 C12 O8 121.61(8) . .
O3 C12 C11 127.28(7) . .
O8 C12 C11 111.12(7) . .
O8 C13 C16 110.10(8) . .
O8 C13 C14 102.39(8) . .
C16 C13 C14 110.41(9) . .
O8 C13 C15 110.56(8) . .
C16 C13 C15 112.95(9) . .
C14 C13 C15 109.92(10) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 H17A 109.5 . .
C18 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C18 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
O6 C18 C19 125.72(7) . .
O6 C18 C17 114.66(7) . .
C19 C18 C17 119.61(8) . .
C18 C19 C20 123.75(8) . .
C18 C19 H19 118.1 . .
C20 C19 H19 118.1 . .
O5 C20 O9 121.03(7) . .
O5 C20 C19 126.89(7) . .
O9 C20 C19 112.08(7) . .
O9 C21 C22 110.94(8) . .
O9 C21 C23 109.25(8) . .
C22 C21 C23 113.26(10) . .
O9 C21 C24 102.13(7) . .
C22 C21 C24 110.24(9) . .
C23 C21 C24 110.45(9) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Li1 O3 1.8497(17) .
Li1 O2 1.8800(17) .
Li1 O6 1.8857(17) .
Li1 O4 1.9598(17) .
Li1 Ni1 2.8893(16) 2_575
Ni1 O6 2.0128(6) 2_575
Ni1 O2 2.0177(6) .
Ni1 O1 2.0333(6) .
Ni1 O5 2.0420(6) 2_575
Ni1 O4 2.1370(6) .
Ni1 O4 2.1571(6) 2_575
Co1 O6 2.0128(6) 2_575
Co1 O2 2.0177(6) .
Co1 O1 2.0333(6) .
Co1 O5 2.0420(6) 2_575
Co1 O4 2.1370(6) .
Co1 O4 2.1571(6) 2_575
O7 C4 1.3457(10) .
O7 C5 1.4771(11) .
O1 C4 1.2420(11) .
O2 C2 1.2933(10) .
O4 C10 1.3270(9) .
O3 C12 1.2303(11) .
O8 C12 1.3522(10) .
O8 C13 1.4758(12) .
O6 C18 1.2912(10) .
O5 C20 1.2442(10) .
O9 C20 1.3486(10) .
O9 C21 1.4740(11) .
C1 C2 1.5095(13) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.3807(12) .
C3 C4 1.4330(12) .
C3 H3 0.9500 .
C5 C7 1.5226(13) .
C5 C8 1.5251(13) .
C5 C6 1.5279(15) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C10 1.5041(12) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.3711(11) .
C11 C12 1.4470(13) .
C11 H11 0.9500 .
C13 C16 1.5241(16) .
C13 C14 1.5248(14) .
C13 C15 1.5294(16) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.5066(12) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C19 1.3773(12) .
C19 C20 1.4307(12) .
C19 H19 0.9500 .
C21 C22 1.5180(15) .
C21 C23 1.5207(14) .
C21 C24 1.5271(14) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
